Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 8/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.52 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | GNAI3 | P08754 | 3/20 | 0.42 |
| ▸ | GNAO1 | P09471 | 3/20 | 0.42 |
| ▸ | GNAI1 | P63096 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | SCN1A | P35498 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Octane SCHEMBL28256209 | 0.89 | GNAI3 (0.48) | ALDH1A1MEN1KMT2ATSHRKEAP1 | |
| Octane SCHEMBL28374514 | 0.89 | GNAI3 (0.48) | ALDH1A1MEN1KMT2ATSHRKEAP1 | |
| Heptane SCHEMBL28446488 | 0.89 | GNAI3 (0.48) | ALDH1A1MEN1KMT2ATSHRKEAP1 | |
| Putrescine SCHEMBL4023828 | 0.89 | KEAP1 (0.60) | DNM1ALDH1A1TSHRKEAP1SMN1; SMN2 | |
| Heptane SCHEMBL28269004 | 0.89 | GNAI3 (0.48) | ALDH1A1MEN1KMT2ATSHRKEAP1 | |
| Hexane SCHEMBL28369310 | 0.87 | GNAI3 (0.45) | ALDH1A1MEN1KMT2ATSHRKEAP1 | |
| Hexane SCHEMBL28257785 | 0.87 | GNAI3 (0.45) | ALDH1A1MEN1KMT2ATSHRKEAP1 | |
| Hexane SCHEMBL28473799 | 0.85 | GNAI3 (0.44) | ALDH1A1MEN1KMT2ATSHRKEAP1 | |
| Hexane SCHEMBL28334314 | 0.85 | GNAI3 (0.44) | ALDH1A1MEN1KMT2ATSHRKEAP1 | |
| Pentane SCHEMBL8722577 | 0.85 | MAPK1 (0.46) | ALDH1A1MEN1KMT2ATSHRKEAP1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0397378-B1 | Hydrochlorofluorocarbon blown rigid polyurethane foams and their preparation | MITSUI TOATSU CHEMICALS (JP) | 1995-11-02 | — | — | EP | disclosed |
| US-5107068-A | Rigid foam from low hazard chlorofluorocarbon; polymerizing diisocyanate, polyether polyol initiated fromphenolic resin with alkanolamine; fireproof insulation | MITSUI TOATSU CHEMICALS, INC. (JP) | 1992-04-21 | — | — | US | disclosed |